Isatin

• Catalog Number: ACM91565
• Product Name: Isatin
• CAS: 91-56-5
• Category: Heterocyclic Organic Compound
• Synonyms: 1H-Indole-2,3-dione
• Molecular Weight: 147.13
• Molecular Formula: C₈H₅NO₂
• InChI: InChI=1S/C8H5NO2/c10-7-5-3-1-2-4-6(5)9-8(7)11/h1-4H,(H,9,10,11)
• InChI Key: JXDYKVIHCLTXOP-UHFFFAOYSA-N
• Melting Point: 193-195 °C
• Flash Point: 220°C
• Complexity: 212
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 0
• Exact Mass: 147.032028402
• Hazard Statements: Xi,Xn
• Heavy Atom Count: 11
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Monoisotopic Mass: 147.032028402
• Physical State: Powder
• Rotatable Bond Count: 0
• Safety Description: 26-36-24/25
• Topological Polar Surface Area: 46.2 Ų

Custom Q&A

What is the PubChem CID for Isatin according to the reference?

PubChem CID: 7054

What is the molecular formula of Isatin?

Molecular Formula: C8H5NO2

What is the molecular weight of Isatin?

Molecular Weight: 147.13 g/mol

When was Isatin first obtained?

Isatin was first obtained by Erdman and Laurent in 1841.

What is the role of Isatin as described in the reference?

Isatin has a role as an EC 1.4.3.4 (monoamine oxidase) inhibitor and a plant metabolite.

In which organisms is Isatin found?

Isatin is found in Isatis tinctoria, Alteromonas, and other organisms.

What is the IUPAC name of Isatin?

IUPAC Name: 1H-indole-2,3-dione

What is the canonical SMILES representation of Isatin?

Canonical SMILES: C1=CC=C2C(=C1)C(=O)C(=O)N2

What is the CAS number of Isatin?

CAS Number: 91-56-5

What is the XLogP3 value of Isatin?

XLogP3: 0.8